# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Kumar-P-Ludhwani-M-M-Das-S-et-al--Fe-H
# implementation = 2023--Kumar-P--Fe-H--LAMMPS--ipr1
# composition = FeH2
# NOTE: These values are for static, unrelaxed structures and use the ideal
# b/a and c/a ratios for the crystal structure, not the potential-specific
# values.

# Calculations from the NIST Interatomic Potential Repository Project:
# http://www.ctcms.nist.gov/potentials/

# Table generated 2023-04-28

r    C1--CaF2--fluori 
0.50  nan             
0.52  nan             
0.54  nan             
0.56  nan             
0.58  nan             
0.60  nan             
0.62  nan             
0.64  nan             
0.66  nan             
0.68  nan             
0.70  nan             
0.72  nan             
0.74  nan             
0.76  nan             
0.78  nan             
0.80  nan             
0.82  nan             
0.84  1.356986749e+02 
0.86  1.223418839e+02 
0.88  1.103375289e+02 
0.90  9.954933102e+01 
0.92  8.983566439e+01 
0.94  8.105723701e+01 
0.96  7.308686256e+01 
0.98  6.581558897e+01 
1.00  5.916779226e+01 
1.02  5.310128738e+01 
1.04  4.758664602e+01 
1.06  4.257930745e+01 
1.08  3.803084530e+01 
1.10  3.390489104e+01 
1.12  3.016832831e+01 
1.14  2.678263880e+01 
1.16  2.370384866e+01 
1.18  2.089749717e+01 
1.20  1.834736292e+01 
1.22  1.602623802e+01 
1.24  1.392087187e+01 
1.26  1.201845967e+01 
1.28  1.030342562e+01 
1.30  8.752204135e+00 
1.32  7.353142980e+00 
1.34  6.100400366e+00 
1.36  4.982636096e+00 
1.38  3.985619460e+00 
1.40  3.094652033e+00 
1.42  2.295759697e+00 
1.44  1.577270727e+00 
1.46  9.296797938e-01 
1.48  3.445500487e-01 
1.50 -1.842232556e-01 
1.52 -6.594208396e-01 
1.54 -1.079269633e+00 
1.56 -1.443853407e+00 
1.58 -1.755699336e+00 
1.60 -2.020063893e+00 
1.62 -2.242310886e+00 
1.64 -2.426650917e+00 
1.66 -2.576364682e+00 
1.68 -2.693253487e+00 
1.70 -2.778371573e+00 
1.72 -2.833306851e+00 
1.74 -2.860932515e+00 
1.76 -2.864801439e+00 
1.78 -2.849318129e+00 
1.80 -2.819027831e+00 
1.82 -2.778049666e+00 
1.84 -2.730416687e+00 
1.86 -2.678031080e+00 
1.88 -2.622297748e+00 
1.90 -2.564498398e+00 
1.92 -2.505786421e+00 
1.94 -2.446670845e+00 
1.96 -2.387404612e+00 
1.98 -2.328126480e+00 
2.00 -2.268779663e+00 
2.02 -2.209088329e+00 
2.04 -2.148606692e+00 
2.06 -2.086833063e+00 
2.08 -2.023251836e+00 
2.10 -1.957519895e+00 
2.12 -1.889922131e+00 
2.14 -1.820881226e+00 
2.16 -1.750787222e+00 
2.18 -1.680014454e+00 
2.20 -1.608930381e+00 
2.22 -1.537885839e+00 
2.24 -1.467135258e+00 
2.26 -1.396882224e+00 
2.28 -1.327279273e+00 
2.30 -1.258417868e+00 
2.32 -1.190383865e+00 
2.34 -1.123278155e+00 
2.36 -1.057383980e+00 
2.38 -9.930874638e-01 
2.40 -9.307802228e-01 
2.42 -8.708688753e-01 
2.44 -8.137835195e-01 
2.46 -7.599812092e-01 
2.48 -7.099440954e-01 
2.50 -6.641556900e-01 
2.52 -6.230276026e-01 
2.54 -5.867700360e-01 
2.56 -5.551760025e-01 
2.58 -4.964982663e-01 
2.60 -4.748030502e-01 
2.62 -4.562541274e-01 
2.64 -4.403784657e-01 
2.66 -4.266953225e-01 
2.68 -4.147209098e-01 
2.70 -4.039699368e-01 
2.72 -3.940808398e-01 
2.74 -3.849169302e-01 
2.76 -3.763629322e-01 
2.78 -3.683013769e-01 
2.80 -3.606127513e-01 
2.82 -3.531829634e-01 
2.84 -3.459151553e-01 
2.86 -3.386917954e-01 
2.88 -3.313897124e-01 
2.90 -3.238843361e-01 
2.92 -3.160498078e-01 
2.94 -3.077590851e-01 
2.96 -2.989192037e-01 
2.98 -2.895743038e-01 
3.00 -2.798036348e-01 
3.02 -2.696856767e-01 
3.04 -2.592981636e-01 
3.06 -2.487181561e-01 
3.08 -2.380221107e-01 
3.10 -2.272859432e-01 
3.12 -2.165850898e-01 
3.14 -2.059945635e-01 
3.16 -1.955890076e-01 
3.18 -1.854427451e-01 
3.20 -1.756236435e-01 
3.22 -1.661510934e-01 
3.24 -1.570216321e-01 
3.26 -1.482315172e-01 
3.28 -1.397768943e-01 
3.30 -1.316536866e-01 
3.32 -1.238536035e-01 
3.34 -1.163636540e-01 
3.36 -1.091706153e-01 
3.38 -1.022613120e-01 
3.40 -9.562264339e-02 
3.42 -8.924284600e-02 
3.44 -8.311522373e-02 
3.46 -7.723447130e-02 
3.48 -7.159546647e-02 
3.50 -6.619329689e-02 
3.52 -6.102328728e-02 
3.54 -5.608102705e-02 
3.56 -5.136239849e-02 
3.58 -4.686360551e-02 
3.60 -4.258120283e-02 
3.62 -3.851212537e-02 
3.64 -3.465371728e-02 
3.66 -3.100375973e-02 
3.68 -2.756049615e-02 
3.70 -2.432265273e-02 
3.72 -2.128945128e-02 
3.74 -1.846060981e-02 
3.76 -1.583632475e-02 
3.78 -1.341722597e-02 
3.80 -1.120429237e-02 
3.82 -9.198711925e-03 
3.84 -7.401664421e-03 
3.86 -5.813999522e-03 
3.88 -4.435777068e-03 
3.90 -3.265633556e-03 
3.92 -2.299943386e-03 
3.94 -1.531765522e-03 
3.96 -9.496301686e-04 
3.98 -5.362684020e-04 
4.00 -2.677010534e-04 
4.02 -1.139537111e-04 
4.04 -4.037813433e-05 
4.06 -1.294175346e-05 
4.08 -5.157393946e-06 
4.10 -2.727512831e-06 
4.12 -1.392551160e-06 
4.14 -5.874814693e-07 
4.16 -1.740685835e-07 
4.18 -2.175857294e-08 
4.20  6.331924091e-17 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00